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| 2. |
- Andjelkovic, Katarina, et al.
(författare)
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Synthesis and Structural Characterization of the Co(III) Complex with 2'-[1-(2-Pyridinyl)-Ethylidene]-Oxamohydrazide (Hapsox): the Crystal Structure of Bis-{2'-[1-(2-Pyridinyl)-Ethylidene]-Oxamohydrazido} Cobalt(III) Perchlorate, [Co(apsox)2]ClO4
- 2003
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Ingår i: Journal of Coordination Chemistry. - : Informa UK Limited. - 0095-8972 .- 1029-0389. ; 56:7, s. 611-622
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Tidskriftsartikel (refereegranskat)abstract
- The synthesis of a novel ligand 2′-[1-(2-pyridinyl)-ethylidene]-oxamohydrazide (Hapsox), from a series of 2-acetylpyridine acylhydrazones, and its complex with Co(III), which is the first in this series of complexes are described. Both the ligand and the complex were characterized by elemental analysis, IR, 1H-NMR, and 13C-NMR spectra, and the structure of the complex [Co(apsox)2]ClO4 was determined by X-ray structural analysis. It was established that [Co(apsox)2]ClO4 has an octahedral geometry with two tridentate apsox ligands in monoanionic form. Structural characteristics, lengths of the bonds, and angles between the bonds were typical for Co(III) complexes of distorted octahedral geometry. Both direct and template synthesis afforded the same geometrical isomer of the complex with two apsox ligands meridionally bound to the central metal ion, even in the case when equimolar quantities of Co(ClO4)2 and Hapsox were applied.
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| 4. |
- Eklund, Per, 1977-, et al.
(författare)
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Ta4AlC3 : Phase determination, polymorphism and deformation
- 2007
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Ingår i: Acta Materialia. - : Elsevier BV. - 1359-6454 .- 1873-2453. ; 55:14, s. 4723-4729
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Tidskriftsartikel (refereegranskat)abstract
- Ta4AlC3, a new member of the Mn+1AXn-phase family, has been synthesized and characterized (n = 1-3, M = early transition metal, A = A-group element, and X = C and/or N). Phase determination by Rietveld refinement of synchrotron X-ray diffraction data shows that Ta4AlC3 belongs to the P63/mmc space group with a and c lattice parameters of 3.10884 ± 0.00004 Å and 24.0776 ± 0.0004 Å, respectively. This is shown to be the α-polymorph of Ta4AlC3, with the same structure as Ti4AlN3. Lattice imaging by high-resolution transmission electron microscopy demonstrates the characteristic MAX-phase stacking of α-Ta4AlC3. Three modes of mechanical deformation of α-Ta4AlC3 are observed: lattice bending, kinking and delamination. © 2007.
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| 5. |
- Eriksson, Therese, et al.
(författare)
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Magnetic short-range order in the new ternary phase Mn8Pd15Si7
- 2005
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 403:1-2, s. 19-28
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Tidskriftsartikel (refereegranskat)abstract
- A new compound, Mn8Pd15Si7, is reported to crystallize in a face centered cubic unit cell of dimension a = 12.0141(2) Å, space group, and can thus be classified as a G-phase. The crystal structure was studied by single crystal X-ray diffraction, X-ray and neutron powder diffraction and electron diffraction. A filled Mg6Cu16Si7 type structure was found, corresponding to the Sc11Ir4 type structure. The magnetic properties were investigated by magnetization measurements and Reverse Monte Carlo modeling of low temperature magnetic short-range order (SRO). Dominating near neighbor antiferromagnetic correlations were found between the Mn atoms and geometric frustration in combination with random magnetic interactions via metal sites with partial Mn occupancy were suggested to hinder formation of long-range magnetic order.
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| 8. |
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| 9. |
- Höwing, Jonas, et al.
(författare)
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Li3+δVC6O13: a short-range-ordered lithium insertion mechanism
- 2004
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Ingår i: Acta Crystallographica. - 0108-7681. ; B60, s. 382-387
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Tidskriftsartikel (refereegranskat)abstract
- The structures of Li3 V6O13 and Li3+V6O13, 0.3, have been determined by single-crystal X-ray diffraction. Both compounds have the space group C2/m, with very similar cell parameters. In Li3V6O13, the Li atoms are found in the Wyckoff positions 4(i) and 2(b) with multiplicities of four and two, respectively. Since Li3V6O13 exhibits no superstructure reflections, it is concluded that Li3V6O13 contains one disordered lithium ion in an otherwise ordered centrosymmetric structure. On inserting more lithium into the structure, the Li3+V6O13 phase is formed with the homogeneity range 0 < < 1. It is concluded that the site for the extra inserted lithium ion is closely coupled to the position of the disordered lithium ion in Li3V6O13. A mechanism for this behaviour and for the further formation of the Li6V6O13 end-phase in the LixV6O13 system is proposed.
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| 10. |
- Höwing, Jonas, et al.
(författare)
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Lithium vanadate Li3+xV6O13 at low temperature
- 2004
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Ingår i: Acta Cryst.. ; :C60, s. i66-i68
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Tidskriftsartikel (refereegranskat)abstract
- We have performed an ab initio study of the surface energies, surface electronic structures and work functions for the (1 0 0) surface of the, existent and hypothetical, cubic 3d (Sc–Cu), 4d (Zr–Ag) and 5d (La–Au) transition metal carbides. The calculated surface energies have been compared to predictions using a so-called bond-cutting model and a model based on the so-called bonding energies. The absolute values and rough trends of the surface energies are fairly well predicted within the simple bond-cutting model, as compared to fully self-consistent calculations, while both trends and absolute values are well reproduced within the bonding energy model. The electronic structure (densities of states) of the transition metal carbides at the surface and in the bulk have been calculated. The trends are discussed in relation to the behavior of the surface energy and the work function across the series.
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